mmcif.h

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//
// Project NuriKit - Copyright 2025 SNU Compbio Lab.
// SPDX-License-Identifier: Apache-2.0
//
 
#ifndef NURI_FMT_MMCIF_H_
#define NURI_FMT_MMCIF_H_

#include <istream>
#include <string>
#include <vector>
 
#include <absl/base/attributes.h>
 
#include "nuri/core/molecule.h"
#include "nuri/fmt/base.h"
#include "nuri/fmt/cif.h"
 
namespace nuri {
std::vector<Molecule> mmcif_load_frame(const internal::CifFrame &frame);
 
std::vector<Molecule> mmcif_read_next_block(CifParser &parser);
 
class MmcifReader final: public MoleculeReader {
public:
  explicit MmcifReader(std::istream &is): parser_(is) { }
 
  bool getnext(std::vector<std::string> &block) override;
 
  Molecule parse(const std::vector<std::string> &block) const override;
 
  bool bond_valid() const override { return false; }
 
private:
  CifParser parser_;
  std::vector<Molecule> mols_;
  int next_ = -1;
};
 
class MmcifReaderFactory: public DefaultReaderFactoryImpl<MmcifReader> {
private:
  static const bool kRegistered ABSL_ATTRIBUTE_UNUSED;
};
}  // namespace nuri
 
#endif /* NURI_FMT_MMCIF_H_ */